8UGW
Computational design of highly signaling active membrane receptors through de novo solvent-mediated allosteric networks
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | Endolysin,Adenosine receptor A2a | polymer | 472 | 52688.7 | 1 | UniProt (P00720) UniProt (P29274) Pfam (PF00959) Pfam (PF00001) | Tequatrovirus T4 | |
| 2 | B (A) | 2-[P-(2-CARBOXYETHYL)PHENYLETHYL-AMINO]-5'-N-ETHYLCARBOXAMIDO ADENOSINE | non-polymer | 499.5 | 1 | Chemie (NGI) |
Sequence modifications
A: 1027 - 1131 (UniProt: P00720)
A: null - 322 (UniProt: P29274)
| PDB | External Database | Details |
|---|---|---|
| Met 1001 | - | initiating methionine |
| Lys 1002 | - | expression tag |
| Thr 1003 | - | expression tag |
| Ile 1004 | - | expression tag |
| Ile 1005 | - | expression tag |
| Ala 1006 | - | expression tag |
| Leu 1007 | - | expression tag |
| Ser 1008 | - | expression tag |
| Tyr 1009 | - | expression tag |
| Ile 1010 | - | expression tag |
| Phe 1011 | - | expression tag |
| Cys 1012 | - | expression tag |
| Leu 1013 | - | expression tag |
| Val 1014 | - | expression tag |
| Phe 1015 | - | expression tag |
| Ala 1016 | - | expression tag |
| Asp 1017 | - | expression tag |
| Tyr 1018 | - | expression tag |
| Lys 1019 | - | expression tag |
| Asp 1020 | - | expression tag |
| Asp 1021 | - | expression tag |
| Asp 1022 | - | expression tag |
| Asp 1023 | - | expression tag |
| Gly 1024 | - | expression tag |
| Ala 1025 | - | expression tag |
| Pro 1026 | - | expression tag |
| Ala 1064 | Cys 97 | conflict |
| Arg 1104 | Ile 137 | conflict |
| Ser 1132 | - | linker |
| Gly 1133 | - | linker |
| Gly 1134 | - | linker |
| Gly 1135 | - | linker |
| Gly 1136 | - | linker |
| Ala 1137 | - | linker |
| Met 1138 | - | linker |
| Asp 1139 | - | linker |
| Ile 1140 | - | linker |
| Phe 1141 | - | linker |
| Glu 1142 | - | linker |
| Met 1143 | - | linker |
| Leu 1144 | - | linker |
| Arg 1145 | - | linker |
| Ile 1146 | - | linker |
| Asp 1147 | - | linker |
| Glu 1148 | - | linker |
| Gly 1149 | - | linker |
| Ala | - | linker |
| Pro | - | linker |
| PDB | External Database | Details |
|---|---|---|
| Ala 48 | Leu 48 | conflict |
| Thr 91 | Ser 91 | conflict |
| Met 95 | Leu 95 | conflict |
| Met 194 | Leu 194 | conflict |
| Tyr 238 | Ile 238 | conflict |
| Leu 239 | Val 239 | conflict |
| Leu 243 | Ala 243 | conflict |
| Gly 317 | Ala 317 | conflict |
| Ser 318 | Gly 318 | conflict |
| Leu 319 | Thr 319 | conflict |
| Val 320 | Ser 320 | conflict |
| Pro 321 | Ala 321 | conflict |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 52688.7 | |
| Non-Polymers* | Number of molecules | 1 |
| Total formula weight | 499.5 | |
| All* | Total formula weight | 53188.2 |
